(E,3R)-3-methyl-1-phenylpent-1-en-3-ol

C12H16O — CID 6450402

IUPAC(E,3R)-3-methyl-1-phenylpent-1-en-3-ol
SMILESCC[C@@](C)(O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b10-9+/t12-/m1/s1
InChIKeyBMZIBDNSLIDIFP-BZYZDCJZSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds3

About (E,3R)-3-methyl-1-phenylpent-1-en-3-ol

(E,3R)-3-methyl-1-phenylpent-1-en-3-ol (PubChem CID 6450402) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (E,3R)-3-methyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(E,3R)-3-methyl-1-phenylpent-1-en-3-ol
PubChem CID6450402
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(E,3R)-3-methyl-1-phenylpent-1-en-3-ol
SMILESCC[C@@](C)(O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b10-9+/t12-/m1/s1
InChIKeyBMZIBDNSLIDIFP-BZYZDCJZSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-methyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (E,3R)-3-methyl-1-phenylpent-1-en-3-ol (CID 6450402) is (E,3R)-3-methyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (E,3R)-3-methyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (E,3R)-3-methyl-1-phenylpent-1-en-3-ol is CC[C@@](C)(O)/C=C/c1ccccc1.
What is the InChIKey of (E,3R)-3-methyl-1-phenylpent-1-en-3-ol?
The InChIKey is BMZIBDNSLIDIFP-BZYZDCJZSA-N. The full InChI is InChI=1S/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b10-9+/t12-/m1/s1.
What are the key properties of (E,3R)-3-methyl-1-phenylpent-1-en-3-ol?
(E,3R)-3-methyl-1-phenylpent-1-en-3-ol has a molecular weight of 176.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-methyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 6450402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).